2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

C15H21N3O3 — CID 76978574

IUPAC2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C15H21N3O3/c1-2-21-13-9-4-3-6-11(13)15(19)17-12-8-5-7-10(12)14(16)18-20/h3-4,6,9-10,12,20H,2,5,7-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUOKYBDZAVPWHJZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds5

About 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (PubChem CID 76978574) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
PubChem CID76978574
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C15H21N3O3/c1-2-21-13-9-4-3-6-11(13)15(19)17-12-8-5-7-10(12)14(16)18-20/h3-4,6,9-10,12,20H,2,5,7-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUOKYBDZAVPWHJZ-UHFFFAOYSA-N
XLogP1.73
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978571
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (CID 76978574) is 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is CCOc1ccccc1C(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The InChIKey is UOKYBDZAVPWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-13-9-4-3-6-11(13)15(19)17-12-8-5-7-10(12)14(16)18-20/h3-4,6,9-10,12,20H,2,5,7-8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is sourced from PubChem (CID 76978574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).